ChemSpider 2D Image | (+)-Quinolactacin A1 | C16H18N2O2

(+)-Quinolactacin A1

  • Molecular FormulaC16H18N2O2
  • Average mass270.326 Da
  • Monoisotopic mass270.136841 Da
  • ChemSpider ID21431252

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-Quinolactacin A1
815576-68-2 [RN]
9H-pyrrolo[3,4-b]quinolin-9-one, 3,4-dihydro-1-hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-, (3R)-
(3R)-2,3-dihydro-4-methyl-3-[(1S)-1-methylpropyl]-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Quinolactacin A1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 422.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.1±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.27
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 53 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 212.1±7.0 cm3

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